Back to Search
Molecule
Pilsicainide
CAS: 88069-67-4 · C17H24N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88069-67-4
- Molecular Formula
- C17H24N2O
- Molecular Mass
- 272.39 g/mol
Identifiers
CAS Registry Number
88069-67-4
SMILES
Cc1cccc(C)c1N=C(O)CC12CCCN1CCC2
InChI Key
BCQTVJKBTWGHCX-UHFFFAOYSA-N
InChI
InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
Names and Synonyms
- Pilsicainide Common Name
- 1H-Pyrrolizine-7a(5H)-acetamide, N-(2,6-dimethylphenyl)tetrahydro- Synonym
- N-(2,6-Dimethylphenyl)tetrahydro-1H-pyrrolizine-7a(5H)-acetamide Synonym
- Pilzicainide Synonym
- Pilsicainide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.39 g/mol | CAS Common Chemistry |
| 272.392 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C(=CC=CC1C)C)CC23N(CCC2)CCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20) | CAS Common Chemistry |
| InChI Key | InChIKey=BCQTVJKBTWGHCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pilsicainide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 3.9099400000000024 | RDKit |
| 3.9099 | RDKit | |
| 3.76 | chempirical lib | |
| Molar Refractivity | 83.02880000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5882 | RDKit |
| 0.59 | chempirical lib | |
| Exact Mass | 272.188863388 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 272.39 g/mol. Edit any field — others recompute live.
